Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21433980 | 0.85 | DKK1 (0.49) | CHRM2EPHX2CHRM4TRPA1CHRM1 | |
| SCHEMBL21433990 | 0.84 | EPHX2 (0.44) | CHRM2EPHX2CHRM4TRPA1CHRM1 | |
| SCHEMBL21434034 | 0.84 | EPHX2 (0.44) | CHRM2EPHX2CHRM4TRPA1CHRM1 | |
| SCHEMBL21434015 | 0.82 | ABL1 (0.42) | CHRM2EPHX2CHRM4TRPA1ABL1 | |
| SCHEMBL21452938 | 0.81 | MAPK1 (0.39) | CHRM2TRPA1CHRM1FAAHCHRM5 | |
| SCHEMBL21434079 | 0.80 | DKK1 (0.46) | CHRM2EPHX2CHRM4TRPA1CHRM1 | |
| SCHEMBL21434003 | 0.80 | FAAH (0.41) | TRPA1FAAHTRPV4 | |
| SCHEMBL21433991 | 0.80 | SCN9A (0.46) | CHRM2CHRM4CHRM1ABL1FFAR4 | |
| SCHEMBL21433933 | 0.79 | SMPD3 (0.42) | EPHX2CHRM4TRPA1 | |
| SCHEMBL21433960 | 0.79 | EPHX2 (0.46) | EPHX2CHRM4TRPA1TRPV4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019193516-A2 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | WO | disclosed |